Ontology mapping
- Primary identifier
-
cas:576-42-1 - Ontology term
-
CHEBI:16002— D-glucaric acid - Ontology label
- D-glucaric acid
Chemical properties
- Cas rn
- 576-42-1
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C6H9KO8
- Smiles
- C(C(C(C(=O)[O-])O)O)(C(C(=O)O)O)O.[K+]
- Inchi
- InChI=1S/C6H10O8.K/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+1/p-1/t1-,2-,3-,4+;/m0./s1
- Pubchem cid
- 23674495
Evidence (3)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 576-42-1 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Curator can promote to a CHEBI primary if/when CHEBI adds the term.
DATABASE_MATCH
via CHEBI via OLS (stem-substring)
Parent class identified via stem-substring; matched_via='D-Saccharic acid potassium salt'
DATABASE_MATCH
via MIM curation (#322)
narrowMatch parent CHEBI:26218 ('potassium salt') -> CHEBI:16002 ('D-glucaric acid'). The previous parent was the class of all potassium salts: it retained the counterion and discarded the compound, collapsing unrelated ingredients onto one node. Chosen because it is saccharic acid is glucaric acid; the label specifies the D- form. The record stays cas-primary per MAPPING_SEMANTICS §3 step 2; only the parent moves.
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:51:33.117170+00:00 | audit_add_remaining_culturebotht | CREATED_FROM_CAS_FALLBACK | MAPPED | Created with cas:576-42-1 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:33.105100+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:52:40.860894+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C6H9KO8; smiles=C(C(C(C(=O)[O-])O)O)(C(C(=O)O)O)O.[K+]; inchi=InChI=1S/C6H10O8.K/c7-1(3(9)5(11)12)2(8)4(10)6(13) | |
| 2026-05-02T03:12:13.800879+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T04:45:19.003435+00:00 | backfill_parent_terms | BACKFILL_PARENT_CHEBI | set ontology_mapping parent=CHEBI:26218 (stem-substring) | |
| 2026-08-13T00:00:00+00:00 | reground_compositional_classes | REGROUNDED_PARENT_TERM | ontology_mapping CHEBI:26218 'potassium salt' -> CHEBI:16002 'D-glucaric acid' (#322); saccharic acid is glucaric acid; the label specifies the D- form. |